MMsINC Database Search


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MMsINC code: MMs02755352

Type: Neutral
Formula: C₁₅H₁₄O₅

SMILES:

O(C(=O)c1c(OC)cccc1OC)c1ccccc1O

InChI:

InChI=1/C15H14O5/c1-18-12-8-5-9-13(19-2)14(12)15(17)20-11-7-4-3-6-10(11)16/h3-9,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.633 kcal/mol

Physical Properties
Molecular Weight: 274.272 g/mol	logS: -3.23775	SlogP: 2.6286	Reactive groups: 0

Topological Properties
Globularity: 0.0247174	Sterimol/B1: 2.34091	Sterimol/B2: 2.59743	Sterimol/B3: 3.18642
Sterimol/B4: 9.53392	Sterimol/L: 14.1786

Surface and Volume Properties
Accessible surface: 504.034	Positive charged surface: 340.857	Negative charged surface: 163.177	Volume: 255.25
Hydrophobic surface: 429.165	Hydrophilic surface: 74.869

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.